| CAS Number | 477847-03-3 |
| Catalog Number | AG00IS88(AGN-PC-0WAPNF) |
| Chemical Name | 1,1,1-Trifluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol |
| IUPAC Name | 1,1,1-trifluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol |
| InChI | InChI=1S/C9H17F3N2O2/c10-9(11,12)8(16)7-14-3-1-13(2-4-14)5-6-15/h8,15-16H,1-7H2 |
| InChI Key | JATQJDGWIGCWAE-UHFFFAOYSA-N |
| MDL Number | MFCD02082049 |
| Molecular Formula | C9H17F3N2O2 |
| Molecular Weight | 242.2387 |
| SMILES | FC(F)(F)C(O)CN1(CCN(CCO)CC1) |
| Synonyms | 1,1,1-trifluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol,
477847-03-3,
1,1,1-trifluoro-3-[4-(2-hydroxyethyl)piperazino]-2-propanol,
AC1MCBXZ,
MLS000721375,
CHEMBL1546101,
HMS2672M16,
KS-00001R2H,
MFCD02082049,
AKOS005075925,
MCULE-7804172172,
SMR000335455,
10P-203,
F6545-5934,
CID2765890,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.242g/mol |
| Monoisotopic Mass | 242.124g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number